REMARK  Name = BDB051717
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.967  -0.191   0.712  0.00  0.00    +0.151 A 
ATOM      2  C   LIG    1       -0.954   0.701   0.263  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -0.989   2.134  -0.148  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1        0.216   2.491  -1.056  0.00  0.00    +0.043 C 
ATOM      5  C   LIG    1        1.503   1.788  -0.697  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1        1.511   0.546  -0.080  0.00  0.00    +0.097 A 
ATOM      7  N   LIG    1        2.616  -0.158   0.209  0.00  0.00    -0.213 NA
ATOM      8  C   LIG    1        3.777   0.399  -0.153  0.00  0.00    +0.216 A 
ATOM      9  N   LIG    1        3.884   1.592  -0.762  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1        2.746   2.259  -1.032  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1        0.229  -0.010   0.304  0.00  0.00    +0.091 A 
ATOM     12  N   LIG    1       -0.100  -1.250   0.757  0.00  0.00    -0.264 N 
ATOM     13  C   LIG    1        0.779  -2.376   0.969  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1       -1.419  -1.387   1.016  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   1  16
ATOM     15  N   LIG    1       -4.361  -0.870   0.970  0.00  0.00    -0.298 N 
ATOM     16  C   LIG    1       -3.400   0.147   0.898  0.00  0.00    +0.267 C 
ATOM     17  O   LIG    1       -3.740   1.331   0.990  0.00  0.00    -0.268 OA
ATOM     18  C   LIG    1       -4.104  -2.278   0.706  0.00  0.00    +0.132 C 
BRANCH  15  19
ATOM     19  C   LIG    1       -5.715  -0.509   1.376  0.00  0.00    +0.123 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -6.586   0.148   0.281  0.00  0.00    +0.102 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -5.981  -0.683  -1.921  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1       -6.956  -0.763  -0.827  0.00  0.00    -0.307 NA
ATOM     23  C   LIG    1       -8.282  -0.415  -1.348  0.00  0.00    +0.104 C 
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH   8  24
ATOM     24  N   LIG    1        4.909  -0.346   0.150  0.00  0.00    -0.311 N 
ATOM     25  H   LIG    1        4.614  -0.995   0.872  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1        6.105   0.424   0.453  0.00  0.00    +0.073 C 
ATOM     27  C   LIG    1        6.871   0.822  -0.821  0.00  0.00    +0.022 C 
ATOM     28  C   LIG    1        8.250   0.179  -0.713  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1        8.461   0.002   0.779  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1        7.089  -0.440   1.257  0.00  0.00    +0.022 C 
ENDBRANCH  24  26
ENDBRANCH   8  24
TORSDOF 6